SMILES:
CC(C)N1CCC(CN(C)c2nc3ccc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)cc3s2)C1Molecular Processing
Molecular formula
C29H31FN4OS
Molecular weight
502.66
Exact mass
502.2203
XLogP
6.52
TPSA
48.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
147.5
Supplementary Information
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